[1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-1-methyl-2-oxo-ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-propenoic acid [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)acrylic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H22N2O5 MolecularWeight: 358.38838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)C=CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)/C=C/C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C19H22N2O5/c1-12(2)19(4,10-20)21-18(23)13(3)26-17(22)8-6-14-5-7-15-16(9-14)25-11-24-15/h5-9,12-13H,11H2,1-4H3,(H,21,23)/b8-6+